3-(1-methylpiperidin-1-ium-1-yl)propyl 2-ethyl-2-methyl-hexanoate iodide

Systemtic Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2-ethyl-2-methyl-hexanoate iodide Openeye Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2-ethyl-2-methyl-hexanoate iodide CAS Name: 2-ethyl-2-methylhexanoic acid 3-(1-methyl-1-piperidin-1-iumyl)propyl ester iodide IUPAC Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2-ethyl-2-methylhexanoate iodide Traditional Name: 2-ethyl-2-methyl-hexanoic acid 3-(1-methylpiperidin-1-ium-1-yl)propyl ester iodide Formula: C18H36INO2 MolecularWeight: 425.38841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC)C(=O)OCCC[N+]1(CCCCC1)C.[I-]

Isomeric SMILES

CCCCC(C)(CC)C(=O)OCCC[N+]1(CCCCC1)C.[I-]

InChI

InChI=1S/C18H36NO2.HI/c1-5-7-12-18(3,6-2)17(20)21-16-11-15-19(4)13-9-8-10-14-19;/h5-16H2,1-4H3;1H/q+1;/p-1